ChemSpider 2D Image | scyllo-Inosamine | C6H13NO5

scyllo-Inosamine

  • Molecular FormulaC6H13NO5
  • Average mass179.171 Da
  • Monoisotopic mass179.079376 Da
  • ChemSpider ID20015760

  • defined stereocentres - 6 of 6 defined stereocentres

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

(1R,2S,3r,4R,5S,6s)-6-Amino-1,2,3,4,5-cyclohexanepentol [ACD/IUPAC Name]
(1R,2S,3r,4R,5S,6s)-6-Amino-1,2,3,4,5-cyclohexanepentol [French] [ACD/IUPAC Name]
(1R,2S,3r,4R,5S,6s)-6-Amino-1,2,3,4,5-cyclohexanpentol [German] [ACD/IUPAC Name]
1,2,3,4,5-Cyclohexanepentol, 6-amino-, (1α,2β,3α,4β,5α,6β)- [ACD/Index Name]
16051-25-5 [RN]
1-amino-1-deoxy-scyllo-inositol
scyllo-Inosamine
(1,3,5/2,4,6)-6-aminocyclohexane-1,2,3,4,5-pentol
(1R,2S,3r,4R,5S,6s)-6-aminocyclohexane-1,2,3,4,5-pentol
MFCD29079002
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

2802457 [DBID]

    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.8±0.1 g/cm3
    Boiling Point: 334.4±42.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.6 mmHg at 25°C
    Enthalpy of Vaporization: 66.9±6.0 kJ/mol
    Flash Point: 156.1±27.9 °C
    Index of Refraction: 1.722
    Molar Refractivity: 39.2±0.3 cm3
    #H bond acceptors: 6
    #H bond donors: 7
    #Freely Rotating Bonds: 0
    #Rule of 5 Violations: 1
    ACD/LogP: -1.75
    ACD/LogD (pH 5.5): -5.47
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 1.00
    ACD/LogD (pH 7.4): -4.31
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 127 Å2
    Polarizability: 15.5±0.5 10-24cm3
    Surface Tension: 88.7±3.0 dyne/cm
    Molar Volume: 99.0±3.0 cm3

    Click to predict properties on the Chemicalize site


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